5-[(4-chloranyl-3-prop-2-ynoxy-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-[(4-chloranyl-3-prop-2-ynoxy-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-(4-chloro-3-prop-2-ynoxy-anilino)-5-oxo-3-(trifluoromethyl)pentanoic acid CAS Name: 5-(4-chloro-3-prop-2-ynoxyanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-(4-chloro-3-prop-2-ynoxyanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-(4-chloro-3-propargyloxy-anilino)-5-keto-3-(trifluoromethyl)valeric acid Formula: C15H13ClF3NO4 MolecularWeight: 363.71623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=CC(=C1)NC(=O)CC(CC(=O)O)C(F)(F)F)Cl

Isomeric SMILES

C#CCOC1=C(C=CC(=C1)NC(=O)CC(CC(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C15H13ClF3NO4/c1-2-5-24-12-8-10(3-4-11(12)16)20-13(21)6-9(7-14(22)23)15(17,18)19/h1,3-4,8-9H,5-7H2,(H,20,21)(H,22,23)